data_10041 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Tudor Domain from Mouse Hypothetical Protein Homologous to Histone Acetyltransferase ; _BMRB_accession_number 10041 _BMRB_flat_file_name bmr10041.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 663 "13C chemical shifts" 506 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of the Tudor Domain from Mouse Hypothetical Protein Homologous to Histone Acetyltransferase ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li H. . . 2 Saito K. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MYST histone acetyltransferase 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MYST histone acetyltransferase 1' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Tudor domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GSSGSSGEPEVTVEIGETYL CRRPDSTWHSAEVIQSRVND QEGREEFYVHYVGFNRRLDE WVDKNRLALTKTVKDAVQKN SEKYLSELAEQPERKITRNQ KRKHDEINHVQKTYAEMDPT TAALEKESGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLU 9 PRO 10 GLU 11 VAL 12 THR 13 VAL 14 GLU 15 ILE 16 GLY 17 GLU 18 THR 19 TYR 20 LEU 21 CYS 22 ARG 23 ARG 24 PRO 25 ASP 26 SER 27 THR 28 TRP 29 HIS 30 SER 31 ALA 32 GLU 33 VAL 34 ILE 35 GLN 36 SER 37 ARG 38 VAL 39 ASN 40 ASP 41 GLN 42 GLU 43 GLY 44 ARG 45 GLU 46 GLU 47 PHE 48 TYR 49 VAL 50 HIS 51 TYR 52 VAL 53 GLY 54 PHE 55 ASN 56 ARG 57 ARG 58 LEU 59 ASP 60 GLU 61 TRP 62 VAL 63 ASP 64 LYS 65 ASN 66 ARG 67 LEU 68 ALA 69 LEU 70 THR 71 LYS 72 THR 73 VAL 74 LYS 75 ASP 76 ALA 77 VAL 78 GLN 79 LYS 80 ASN 81 SER 82 GLU 83 LYS 84 TYR 85 LEU 86 SER 87 GLU 88 LEU 89 ALA 90 GLU 91 GLN 92 PRO 93 GLU 94 ARG 95 LYS 96 ILE 97 THR 98 ARG 99 ASN 100 GLN 101 LYS 102 ARG 103 LYS 104 HIS 105 ASP 106 GLU 107 ILE 108 ASN 109 HIS 110 VAL 111 GLN 112 LYS 113 THR 114 TYR 115 ALA 116 GLU 117 MET 118 ASP 119 PRO 120 THR 121 THR 122 ALA 123 ALA 124 LEU 125 GLU 126 LYS 127 GLU 128 SER 129 GLY 130 PRO 131 SER 132 SER 133 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1WGS "Solution Structure Of The Tudor Domain From Mouse Hypothetical Protein Homologous To Histone Acetyltransferase" 100.00 133 100.00 100.00 1.27e-92 DBJ BAB13924 "unnamed protein product [Homo sapiens]" 90.98 458 100.00 100.00 7.47e-79 DBJ BAB14827 "unnamed protein product [Homo sapiens]" 90.98 458 100.00 100.00 8.77e-79 DBJ BAB22680 "unnamed protein product [Mus musculus]" 90.98 458 100.00 100.00 9.56e-79 DBJ BAC25539 "unnamed protein product [Mus musculus]" 90.98 287 100.00 100.00 4.65e-81 DBJ BAC26411 "unnamed protein product [Mus musculus]" 81.95 194 98.17 98.17 1.69e-72 GB AAF72665 "histone acetyltransferase [Homo sapiens]" 90.98 430 100.00 100.00 5.18e-79 GB AAH36284 "MYST histone acetyltransferase 1 [Mus musculus]" 90.98 458 100.00 100.00 8.14e-79 GB AAH37773 "MYST1 protein [Homo sapiens]" 90.98 467 100.00 100.00 1.02e-78 GB AAH83891 "MYST histone acetyltransferase 1 [Rattus norvegicus]" 90.98 458 100.00 100.00 9.06e-79 GB AAI33612 "MYST1 protein [Bos taurus]" 90.98 458 100.00 100.00 6.43e-79 REF NP_001017378 "histone acetyltransferase KAT8 [Rattus norvegicus]" 90.98 458 100.00 100.00 9.06e-79 REF NP_001098953 "histone acetyltransferase KAT8 [Bos taurus]" 90.98 458 100.00 100.00 6.43e-79 REF NP_001271295 "histone acetyltransferase KAT8 [Sus scrofa]" 90.98 458 100.00 100.00 6.36e-79 REF NP_080646 "histone acetyltransferase KAT8 [Mus musculus]" 90.98 458 100.00 100.00 9.56e-79 REF NP_115564 "histone acetyltransferase KAT8 isoform 1 [Homo sapiens]" 90.98 458 100.00 100.00 7.47e-79 SP Q5XI06 "RecName: Full=Histone acetyltransferase KAT8; AltName: Full=Lysine acetyltransferase 8; AltName: Full=MOZ, YBF2/SAS3, SAS2 and " 90.98 458 100.00 100.00 9.06e-79 SP Q9D1P2 "RecName: Full=Histone acetyltransferase KAT8; AltName: Full=Lysine acetyltransferase 8; AltName: Full=MOZ, YBF2/SAS3, SAS2 and " 90.98 458 100.00 100.00 9.56e-79 SP Q9H7Z6 "RecName: Full=Histone acetyltransferase KAT8; AltName: Full=Lysine acetyltransferase 8; AltName: Full=MOZ, YBF2/SAS3, SAS2 and " 90.98 458 100.00 100.00 7.47e-79 TPG DAA15349 "TPA: probable histone acetyltransferase MYST1 [Bos taurus]" 90.98 458 100.00 100.00 7.15e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P031110-09 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.06 mM '[U-13C, U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B. A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.897 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 13C-separated NOESY' '3D 15N-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'MYST histone acetyltransferase 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.502 0.030 1 2 6 6 SER HB2 H 3.922 0.030 1 3 6 6 SER HB3 H 3.922 0.030 1 4 6 6 SER C C 174.972 0.300 1 5 6 6 SER CA C 58.701 0.300 1 6 6 6 SER CB C 63.877 0.300 1 7 7 7 GLY H H 8.391 0.030 1 8 7 7 GLY HA2 H 3.989 0.030 1 9 7 7 GLY HA3 H 3.989 0.030 1 10 7 7 GLY C C 173.796 0.300 1 11 7 7 GLY CA C 45.081 0.300 1 12 7 7 GLY N N 110.781 0.300 1 13 8 8 GLU H H 8.221 0.030 1 14 8 8 GLU HA H 4.603 0.030 1 15 8 8 GLU HB2 H 2.073 0.030 1 16 8 8 GLU HB3 H 2.073 0.030 1 17 8 8 GLU HG2 H 2.279 0.030 1 18 8 8 GLU HG3 H 2.279 0.030 1 19 8 8 GLU CA C 54.337 0.300 1 20 8 8 GLU CB C 29.778 0.300 1 21 8 8 GLU N N 121.828 0.300 1 22 9 9 PRO HA H 4.433 0.030 1 23 9 9 PRO HB2 H 2.313 0.030 2 24 9 9 PRO HB3 H 1.923 0.030 2 25 9 9 PRO HG2 H 2.043 0.030 1 26 9 9 PRO HG3 H 2.043 0.030 1 27 9 9 PRO HD2 H 3.785 0.030 2 28 9 9 PRO HD3 H 3.714 0.030 2 29 9 9 PRO C C 176.703 0.300 1 30 9 9 PRO CA C 63.170 0.300 1 31 9 9 PRO CB C 32.047 0.300 1 32 9 9 PRO CG C 27.358 0.300 1 33 9 9 PRO CD C 50.635 0.300 1 34 10 10 GLU H H 8.480 0.030 1 35 10 10 GLU HA H 4.303 0.030 1 36 10 10 GLU HB2 H 1.942 0.030 2 37 10 10 GLU HB3 H 2.011 0.030 2 38 10 10 GLU HG2 H 2.253 0.030 2 39 10 10 GLU HG3 H 2.307 0.030 2 40 10 10 GLU C C 176.495 0.300 1 41 10 10 GLU CA C 56.185 0.300 1 42 10 10 GLU CB C 30.667 0.300 1 43 10 10 GLU CG C 36.406 0.300 1 44 10 10 GLU N N 121.724 0.300 1 45 11 11 VAL H H 8.300 0.030 1 46 11 11 VAL HA H 4.177 0.030 1 47 11 11 VAL HB H 2.022 0.030 1 48 11 11 VAL HG1 H 0.954 0.030 1 49 11 11 VAL HG2 H 0.905 0.030 1 50 11 11 VAL C C 175.479 0.300 1 51 11 11 VAL CA C 62.079 0.300 1 52 11 11 VAL CB C 33.070 0.300 1 53 11 11 VAL CG1 C 20.896 0.300 2 54 11 11 VAL CG2 C 21.642 0.300 2 55 11 11 VAL N N 122.577 0.300 1 56 12 12 THR H H 8.311 0.030 1 57 12 12 THR HA H 4.352 0.030 1 58 12 12 THR HB H 4.084 0.030 1 59 12 12 THR HG2 H 1.179 0.030 1 60 12 12 THR C C 173.409 0.300 1 61 12 12 THR CA C 61.481 0.300 1 62 12 12 THR CB C 70.082 0.300 1 63 12 12 THR CG2 C 21.683 0.300 1 64 12 12 THR N N 120.742 0.300 1 65 13 13 VAL H H 8.313 0.030 1 66 13 13 VAL HA H 3.565 0.030 1 67 13 13 VAL HB H 1.414 0.030 1 68 13 13 VAL HG1 H -0.130 0.030 1 69 13 13 VAL HG2 H 0.123 0.030 1 70 13 13 VAL C C 174.973 0.300 1 71 13 13 VAL CA C 62.766 0.300 1 72 13 13 VAL CB C 31.918 0.300 1 73 13 13 VAL CG1 C 21.848 0.300 2 74 13 13 VAL CG2 C 21.891 0.300 2 75 13 13 VAL N N 126.049 0.300 1 76 14 14 GLU H H 8.475 0.030 1 77 14 14 GLU HA H 4.581 0.030 1 78 14 14 GLU HB2 H 1.972 0.030 2 79 14 14 GLU HB3 H 1.822 0.030 2 80 14 14 GLU HG2 H 2.153 0.030 2 81 14 14 GLU HG3 H 2.243 0.030 2 82 14 14 GLU C C 175.578 0.300 1 83 14 14 GLU CA C 54.460 0.300 1 84 14 14 GLU CB C 31.531 0.300 1 85 14 14 GLU CG C 35.912 0.300 1 86 14 14 GLU N N 127.807 0.300 1 87 15 15 ILE H H 8.443 0.030 1 88 15 15 ILE HA H 3.582 0.030 1 89 15 15 ILE HB H 1.914 0.030 1 90 15 15 ILE HG12 H 1.413 0.030 2 91 15 15 ILE HG13 H 1.653 0.030 2 92 15 15 ILE HG2 H 0.934 0.030 1 93 15 15 ILE HD1 H 0.917 0.030 1 94 15 15 ILE C C 177.848 0.300 1 95 15 15 ILE CA C 62.537 0.300 1 96 15 15 ILE CB C 36.324 0.300 1 97 15 15 ILE CG1 C 28.610 0.300 1 98 15 15 ILE CG2 C 18.127 0.300 1 99 15 15 ILE CD1 C 11.617 0.300 1 100 15 15 ILE N N 123.554 0.300 1 101 16 16 GLY H H 9.131 0.030 1 102 16 16 GLY HA2 H 4.434 0.030 2 103 16 16 GLY HA3 H 3.878 0.030 2 104 16 16 GLY C C 174.362 0.300 1 105 16 16 GLY CA C 44.782 0.300 1 106 16 16 GLY N N 116.466 0.300 1 107 17 17 GLU H H 7.635 0.030 1 108 17 17 GLU HA H 4.491 0.030 1 109 17 17 GLU HB2 H 2.154 0.030 2 110 17 17 GLU HB3 H 1.893 0.030 2 111 17 17 GLU HG2 H 2.043 0.030 2 112 17 17 GLU HG3 H 2.170 0.030 2 113 17 17 GLU C C 174.231 0.300 1 114 17 17 GLU CA C 54.935 0.300 1 115 17 17 GLU CB C 31.348 0.300 1 116 17 17 GLU CG C 36.822 0.300 1 117 17 17 GLU N N 120.728 0.300 1 118 18 18 THR H H 8.198 0.030 1 119 18 18 THR HA H 5.213 0.030 1 120 18 18 THR HB H 3.762 0.030 1 121 18 18 THR HG2 H 1.005 0.030 1 122 18 18 THR C C 173.648 0.300 1 123 18 18 THR CA C 61.182 0.300 1 124 18 18 THR CB C 70.388 0.300 1 125 18 18 THR CG2 C 21.354 0.300 1 126 18 18 THR N N 115.131 0.300 1 127 19 19 TYR H H 9.135 0.030 1 128 19 19 TYR HA H 4.766 0.030 1 129 19 19 TYR HB2 H 3.273 0.030 2 130 19 19 TYR HB3 H 2.263 0.030 2 131 19 19 TYR HD1 H 6.954 0.030 1 132 19 19 TYR HD2 H 6.954 0.030 1 133 19 19 TYR HE1 H 6.754 0.030 1 134 19 19 TYR HE2 H 6.754 0.030 1 135 19 19 TYR C C 175.520 0.300 1 136 19 19 TYR CA C 56.378 0.300 1 137 19 19 TYR CB C 43.768 0.300 1 138 19 19 TYR CD1 C 133.492 0.300 1 139 19 19 TYR CD2 C 133.492 0.300 1 140 19 19 TYR CE1 C 118.348 0.300 1 141 19 19 TYR CE2 C 118.348 0.300 1 142 19 19 TYR N N 123.893 0.300 1 143 20 20 LEU H H 9.163 0.030 1 144 20 20 LEU HA H 4.519 0.030 1 145 20 20 LEU HB2 H 1.783 0.030 2 146 20 20 LEU HB3 H 1.553 0.030 2 147 20 20 LEU HG H 1.733 0.030 1 148 20 20 LEU HD1 H 0.751 0.030 1 149 20 20 LEU HD2 H 0.753 0.030 1 150 20 20 LEU C C 175.896 0.300 1 151 20 20 LEU CA C 55.991 0.300 1 152 20 20 LEU CB C 43.086 0.300 1 153 20 20 LEU CG C 27.358 0.300 1 154 20 20 LEU CD1 C 23.493 0.300 2 155 20 20 LEU CD2 C 25.055 0.300 2 156 20 20 LEU N N 122.136 0.300 1 157 21 21 CYS H H 9.060 0.030 1 158 21 21 CYS HA H 5.755 0.030 1 159 21 21 CYS HB2 H 3.103 0.030 2 160 21 21 CYS HB3 H 2.323 0.030 2 161 21 21 CYS C C 173.025 0.300 1 162 21 21 CYS CA C 56.642 0.300 1 163 21 21 CYS CB C 30.749 0.300 1 164 21 21 CYS N N 124.874 0.300 1 165 22 22 ARG H H 8.924 0.030 1 166 22 22 ARG HA H 3.704 0.030 1 167 22 22 ARG HB2 H 0.993 0.030 2 168 22 22 ARG HB3 H -0.416 0.030 2 169 22 22 ARG HG2 H 0.113 0.030 2 170 22 22 ARG HG3 H 1.143 0.030 2 171 22 22 ARG HD2 H 2.740 0.030 2 172 22 22 ARG HD3 H 2.902 0.030 2 173 22 22 ARG C C 176.459 0.300 1 174 22 22 ARG CA C 55.832 0.300 1 175 22 22 ARG CB C 29.679 0.300 1 176 22 22 ARG CG C 26.985 0.300 1 177 22 22 ARG CD C 43.644 0.300 1 178 22 22 ARG N N 132.730 0.300 1 179 23 23 ARG H H 9.134 0.030 1 180 23 23 ARG HA H 4.333 0.030 1 181 23 23 ARG HB2 H 1.883 0.030 2 182 23 23 ARG HB3 H 1.655 0.030 2 183 23 23 ARG HG2 H 1.593 0.030 2 184 23 23 ARG HG3 H 1.198 0.030 2 185 23 23 ARG HD2 H 2.414 0.030 2 186 23 23 ARG HD3 H 2.139 0.030 2 187 23 23 ARG HE H 7.898 0.030 1 188 23 23 ARG C C 176.368 0.300 1 189 23 23 ARG CA C 56.413 0.300 1 190 23 23 ARG CB C 28.610 0.300 1 191 23 23 ARG CG C 28.640 0.300 1 192 23 23 ARG CD C 42.596 0.300 1 193 23 23 ARG N N 128.378 0.300 1 194 24 24 PRO HA H 4.283 0.030 1 195 24 24 PRO HB2 H 2.434 0.030 2 196 24 24 PRO HB3 H 1.885 0.030 2 197 24 24 PRO HG2 H 2.074 0.030 1 198 24 24 PRO HG3 H 2.074 0.030 1 199 24 24 PRO HD2 H 3.523 0.030 2 200 24 24 PRO HD3 H 3.873 0.030 2 201 24 24 PRO CA C 65.360 0.300 1 202 24 24 PRO CB C 31.586 0.300 1 203 24 24 PRO CG C 28.361 0.300 1 204 24 24 PRO CD C 50.892 0.300 1 205 25 25 ASP H H 7.233 0.030 1 206 25 25 ASP HA H 4.524 0.030 1 207 25 25 ASP HB2 H 2.523 0.030 2 208 25 25 ASP HB3 H 3.074 0.030 2 209 25 25 ASP CA C 53.139 0.300 1 210 25 25 ASP CB C 39.449 0.300 1 211 25 25 ASP N N 114.310 0.300 1 212 26 26 SER H H 8.235 0.030 1 213 26 26 SER HA H 3.680 0.030 1 214 26 26 SER HB2 H 4.277 0.030 2 215 26 26 SER HB3 H 4.063 0.030 2 216 26 26 SER C C 173.363 0.300 1 217 26 26 SER CA C 61.644 0.300 1 218 26 26 SER CB C 62.086 0.300 1 219 26 26 SER N N 110.795 0.300 1 220 27 27 THR H H 7.873 0.030 1 221 27 27 THR HA H 4.591 0.030 1 222 27 27 THR HB H 4.266 0.030 1 223 27 27 THR HG2 H 1.182 0.030 1 224 27 27 THR C C 173.132 0.300 1 225 27 27 THR CA C 61.622 0.300 1 226 27 27 THR CB C 70.681 0.300 1 227 27 27 THR CG2 C 21.930 0.300 1 228 27 27 THR N N 113.037 0.300 1 229 28 28 TRP H H 8.596 0.030 1 230 28 28 TRP HA H 5.254 0.030 1 231 28 28 TRP HB2 H 2.913 0.030 2 232 28 28 TRP HB3 H 2.983 0.030 2 233 28 28 TRP HD1 H 7.310 0.030 1 234 28 28 TRP HE1 H 10.092 0.030 1 235 28 28 TRP HE3 H 7.203 0.030 1 236 28 28 TRP HZ2 H 7.492 0.030 1 237 28 28 TRP HZ3 H 7.004 0.030 1 238 28 28 TRP HH2 H 7.054 0.030 1 239 28 28 TRP C C 176.589 0.300 1 240 28 28 TRP CA C 56.607 0.300 1 241 28 28 TRP CB C 31.098 0.300 1 242 28 28 TRP CD1 C 127.737 0.300 1 243 28 28 TRP CE3 C 119.949 0.300 1 244 28 28 TRP CZ2 C 114.419 0.300 1 245 28 28 TRP CZ3 C 123.757 0.300 1 246 28 28 TRP CH2 C 123.814 0.300 1 247 28 28 TRP N N 120.968 0.300 1 248 28 28 TRP NE1 N 129.583 0.300 1 249 29 29 HIS H H 9.403 0.030 1 250 29 29 HIS HA H 4.853 0.030 1 251 29 29 HIS HB2 H 3.241 0.030 2 252 29 29 HIS HB3 H 2.783 0.030 2 253 29 29 HIS HD2 H 7.053 0.030 1 254 29 29 HIS C C 174.964 0.300 1 255 29 29 HIS CA C 55.516 0.300 1 256 29 29 HIS CB C 35.807 0.300 1 257 29 29 HIS CD2 C 119.911 0.300 1 258 29 29 HIS N N 122.072 0.300 1 259 30 30 SER H H 8.681 0.030 1 260 30 30 SER HA H 4.573 0.030 1 261 30 30 SER HB2 H 3.736 0.030 2 262 30 30 SER HB3 H 3.663 0.030 2 263 30 30 SER C C 173.945 0.300 1 264 30 30 SER CA C 61.007 0.300 1 265 30 30 SER CB C 63.402 0.300 1 266 30 30 SER N N 121.691 0.300 1 267 31 31 ALA H H 9.673 0.030 1 268 31 31 ALA HA H 5.116 0.030 1 269 31 31 ALA HB H 0.864 0.030 1 270 31 31 ALA C C 174.406 0.300 1 271 31 31 ALA CA C 51.134 0.300 1 272 31 31 ALA CB C 22.400 0.300 1 273 31 31 ALA N N 129.163 0.300 1 274 32 32 GLU H H 8.959 0.030 1 275 32 32 GLU HA H 4.791 0.030 1 276 32 32 GLU HB2 H 1.873 0.030 1 277 32 32 GLU HB3 H 1.873 0.030 1 278 32 32 GLU HG2 H 2.033 0.030 1 279 32 32 GLU HG3 H 2.033 0.030 1 280 32 32 GLU C C 176.685 0.300 1 281 32 32 GLU CA C 54.284 0.300 1 282 32 32 GLU CB C 32.106 0.300 1 283 32 32 GLU CG C 36.159 0.300 1 284 32 32 GLU N N 122.393 0.300 1 285 33 33 VAL H H 8.330 0.030 1 286 33 33 VAL HA H 4.133 0.030 1 287 33 33 VAL HB H 2.362 0.030 1 288 33 33 VAL HG1 H 0.970 0.030 1 289 33 33 VAL HG2 H 0.873 0.030 1 290 33 33 VAL C C 176.620 0.300 1 291 33 33 VAL CA C 63.540 0.300 1 292 33 33 VAL CB C 31.596 0.300 1 293 33 33 VAL CG1 C 22.886 0.300 2 294 33 33 VAL CG2 C 22.094 0.300 2 295 33 33 VAL N N 124.077 0.300 1 296 34 34 ILE H H 9.543 0.030 1 297 34 34 ILE HA H 4.273 0.030 1 298 34 34 ILE HB H 1.902 0.030 1 299 34 34 ILE HG12 H 1.263 0.030 2 300 34 34 ILE HG13 H 1.411 0.030 2 301 34 34 ILE HG2 H 0.963 0.030 1 302 34 34 ILE HD1 H 0.673 0.030 1 303 34 34 ILE C C 175.968 0.300 1 304 34 34 ILE CA C 62.150 0.300 1 305 34 34 ILE CB C 39.310 0.300 1 306 34 34 ILE CG1 C 27.366 0.300 1 307 34 34 ILE CG2 C 17.434 0.300 1 308 34 34 ILE CD1 C 12.079 0.300 1 309 34 34 ILE N N 128.957 0.300 1 310 35 35 GLN H H 7.676 0.030 1 311 35 35 GLN HA H 4.816 0.030 1 312 35 35 GLN HB2 H 2.203 0.030 2 313 35 35 GLN HB3 H 2.065 0.030 2 314 35 35 GLN HG2 H 2.515 0.030 2 315 35 35 GLN HG3 H 2.434 0.030 2 316 35 35 GLN HE21 H 7.192 0.030 2 317 35 35 GLN HE22 H 6.853 0.030 2 318 35 35 GLN C C 173.468 0.300 1 319 35 35 GLN CA C 54.900 0.300 1 320 35 35 GLN CB C 33.504 0.300 1 321 35 35 GLN CG C 34.248 0.300 1 322 35 35 GLN N N 114.698 0.300 1 323 35 35 GLN NE2 N 110.753 0.300 1 324 36 36 SER H H 9.075 0.030 1 325 36 36 SER HA H 5.712 0.030 1 326 36 36 SER HB2 H 3.880 0.030 2 327 36 36 SER HB3 H 3.784 0.030 2 328 36 36 SER C C 172.833 0.300 1 329 36 36 SER CA C 56.959 0.300 1 330 36 36 SER CB C 67.820 0.300 1 331 36 36 SER N N 117.376 0.300 1 332 37 37 ARG H H 8.958 0.030 1 333 37 37 ARG HA H 4.716 0.030 1 334 37 37 ARG HB2 H 1.658 0.030 2 335 37 37 ARG HB3 H 1.553 0.030 2 336 37 37 ARG HG2 H 0.752 0.030 2 337 37 37 ARG HG3 H 1.099 0.030 2 338 37 37 ARG HD2 H 2.273 0.030 2 339 37 37 ARG HD3 H 1.239 0.030 2 340 37 37 ARG HE H 6.410 0.030 1 341 37 37 ARG C C 173.179 0.300 1 342 37 37 ARG CA C 55.023 0.300 1 343 37 37 ARG CB C 32.600 0.300 1 344 37 37 ARG CG C 25.220 0.300 1 345 37 37 ARG CD C 42.821 0.300 1 346 37 37 ARG N N 118.639 0.300 1 347 37 37 ARG NE N 113.969 0.300 1 348 38 38 VAL H H 8.463 0.030 1 349 38 38 VAL HA H 4.152 0.030 1 350 38 38 VAL HB H 1.871 0.030 1 351 38 38 VAL HG1 H 0.863 0.030 1 352 38 38 VAL HG2 H 0.693 0.030 1 353 38 38 VAL C C 175.546 0.300 1 354 38 38 VAL CA C 62.168 0.300 1 355 38 38 VAL CB C 33.089 0.300 1 356 38 38 VAL CG1 C 21.393 0.300 2 357 38 38 VAL CG2 C 20.896 0.300 2 358 38 38 VAL N N 120.186 0.300 1 359 39 39 ASN H H 8.686 0.030 1 360 39 39 ASN HA H 4.582 0.030 1 361 39 39 ASN HB2 H 2.873 0.030 2 362 39 39 ASN HB3 H 2.453 0.030 2 363 39 39 ASN HD21 H 7.935 0.030 2 364 39 39 ASN HD22 H 7.003 0.030 2 365 39 39 ASN C C 175.597 0.300 1 366 39 39 ASN CA C 52.120 0.300 1 367 39 39 ASN CB C 38.515 0.300 1 368 39 39 ASN N N 126.112 0.300 1 369 39 39 ASN ND2 N 113.750 0.300 1 370 40 40 ASP H H 8.623 0.030 1 371 40 40 ASP HA H 4.352 0.030 1 372 40 40 ASP HB2 H 2.633 0.030 1 373 40 40 ASP HB3 H 2.633 0.030 1 374 40 40 ASP C C 177.400 0.300 1 375 40 40 ASP CA C 56.413 0.300 1 376 40 40 ASP CB C 41.052 0.300 1 377 40 40 ASP N N 125.212 0.300 1 378 41 41 GLN H H 8.213 0.030 1 379 41 41 GLN HA H 4.143 0.030 1 380 41 41 GLN HB2 H 2.133 0.030 2 381 41 41 GLN HB3 H 2.173 0.030 2 382 41 41 GLN HG2 H 2.390 0.030 1 383 41 41 GLN HG3 H 2.390 0.030 1 384 41 41 GLN HE21 H 7.613 0.030 2 385 41 41 GLN HE22 H 6.842 0.030 2 386 41 41 GLN C C 177.435 0.300 1 387 41 41 GLN CA C 58.367 0.300 1 388 41 41 GLN CB C 28.528 0.300 1 389 41 41 GLN CG C 34.333 0.300 1 390 41 41 GLN N N 119.068 0.300 1 391 41 41 GLN NE2 N 112.862 0.300 1 392 42 42 GLU H H 7.615 0.030 1 393 42 42 GLU HA H 4.378 0.030 1 394 42 42 GLU HB2 H 2.173 0.030 2 395 42 42 GLU HB3 H 1.489 0.030 2 396 42 42 GLU HG2 H 2.231 0.030 2 397 42 42 GLU HG3 H 2.158 0.030 2 398 42 42 GLU C C 177.026 0.300 1 399 42 42 GLU CA C 55.692 0.300 1 400 42 42 GLU CB C 31.113 0.300 1 401 42 42 GLU CG C 36.077 0.300 1 402 42 42 GLU N N 115.090 0.300 1 403 43 43 GLY H H 8.014 0.030 1 404 43 43 GLY HA2 H 3.882 0.030 1 405 43 43 GLY HA3 H 3.882 0.030 1 406 43 43 GLY C C 174.276 0.300 1 407 43 43 GLY CA C 46.718 0.300 1 408 43 43 GLY N N 109.638 0.300 1 409 44 44 ARG H H 7.383 0.030 1 410 44 44 ARG HA H 4.741 0.030 1 411 44 44 ARG HB2 H 1.898 0.030 2 412 44 44 ARG HB3 H 1.778 0.030 2 413 44 44 ARG HG2 H 1.536 0.030 2 414 44 44 ARG HG3 H 1.472 0.030 2 415 44 44 ARG HD2 H 3.227 0.030 1 416 44 44 ARG HD3 H 3.227 0.030 1 417 44 44 ARG C C 174.486 0.300 1 418 44 44 ARG CA C 54.513 0.300 1 419 44 44 ARG CB C 33.011 0.300 1 420 44 44 ARG CG C 26.618 0.300 1 421 44 44 ARG CD C 43.479 0.300 1 422 44 44 ARG N N 115.520 0.300 1 423 45 45 GLU H H 8.758 0.030 1 424 45 45 GLU HA H 4.653 0.030 1 425 45 45 GLU HB2 H 1.903 0.030 1 426 45 45 GLU HB3 H 1.903 0.030 1 427 45 45 GLU HG2 H 2.220 0.030 2 428 45 45 GLU HG3 H 1.993 0.030 2 429 45 45 GLU C C 175.108 0.300 1 430 45 45 GLU CA C 56.308 0.300 1 431 45 45 GLU CB C 31.818 0.300 1 432 45 45 GLU CG C 37.320 0.300 1 433 45 45 GLU N N 123.793 0.300 1 434 46 46 GLU H H 8.670 0.030 1 435 46 46 GLU HA H 5.028 0.030 1 436 46 46 GLU HB2 H 2.040 0.030 2 437 46 46 GLU HB3 H 1.759 0.030 2 438 46 46 GLU HG2 H 2.039 0.030 2 439 46 46 GLU HG3 H 2.103 0.030 2 440 46 46 GLU C C 174.429 0.300 1 441 46 46 GLU CA C 53.985 0.300 1 442 46 46 GLU CB C 35.368 0.300 1 443 46 46 GLU CG C 36.708 0.300 1 444 46 46 GLU N N 120.684 0.300 1 445 47 47 PHE H H 9.344 0.030 1 446 47 47 PHE HA H 5.315 0.030 1 447 47 47 PHE HB2 H 2.923 0.030 2 448 47 47 PHE HB3 H 2.540 0.030 2 449 47 47 PHE HD1 H 6.982 0.030 1 450 47 47 PHE HD2 H 6.982 0.030 1 451 47 47 PHE HE1 H 7.156 0.030 1 452 47 47 PHE HE2 H 7.156 0.030 1 453 47 47 PHE HZ H 7.294 0.030 1 454 47 47 PHE C C 172.978 0.300 1 455 47 47 PHE CA C 57.240 0.300 1 456 47 47 PHE CB C 42.223 0.300 1 457 47 47 PHE CD1 C 131.963 0.300 1 458 47 47 PHE CD2 C 131.963 0.300 1 459 47 47 PHE CE1 C 130.816 0.300 1 460 47 47 PHE CE2 C 130.816 0.300 1 461 47 47 PHE CZ C 130.392 0.300 1 462 47 47 PHE N N 117.266 0.300 1 463 48 48 TYR H H 8.705 0.030 1 464 48 48 TYR HA H 4.324 0.030 1 465 48 48 TYR HB2 H 1.957 0.030 2 466 48 48 TYR HB3 H 0.018 0.030 2 467 48 48 TYR HD1 H 5.564 0.030 1 468 48 48 TYR HD2 H 5.564 0.030 1 469 48 48 TYR HE1 H 6.483 0.030 1 470 48 48 TYR HE2 H 6.483 0.030 1 471 48 48 TYR C C 174.998 0.300 1 472 48 48 TYR CA C 56.378 0.300 1 473 48 48 TYR CB C 37.493 0.300 1 474 48 48 TYR CD1 C 132.162 0.300 1 475 48 48 TYR CD2 C 132.162 0.300 1 476 48 48 TYR CE1 C 117.153 0.300 1 477 48 48 TYR CE2 C 117.153 0.300 1 478 48 48 TYR N N 129.763 0.300 1 479 49 49 VAL H H 8.474 0.030 1 480 49 49 VAL HA H 5.261 0.030 1 481 49 49 VAL HB H 1.443 0.030 1 482 49 49 VAL HG1 H 0.663 0.030 1 483 49 49 VAL HG2 H 0.401 0.030 1 484 49 49 VAL C C 172.789 0.300 1 485 49 49 VAL CA C 57.821 0.300 1 486 49 49 VAL CB C 34.820 0.300 1 487 49 49 VAL CG1 C 21.025 0.300 2 488 49 49 VAL CG2 C 17.163 0.300 2 489 49 49 VAL N N 120.590 0.300 1 490 50 50 HIS H H 8.208 0.030 1 491 50 50 HIS HA H 4.966 0.030 1 492 50 50 HIS HB2 H 2.872 0.030 1 493 50 50 HIS HB3 H 2.872 0.030 1 494 50 50 HIS HD2 H 7.172 0.030 1 495 50 50 HIS HE1 H 8.473 0.030 1 496 50 50 HIS C C 174.648 0.300 1 497 50 50 HIS CA C 52.877 0.300 1 498 50 50 HIS CB C 31.284 0.300 1 499 50 50 HIS CD2 C 120.036 0.300 1 500 50 50 HIS CE1 C 136.238 0.300 1 501 50 50 HIS N N 116.345 0.300 1 502 51 51 TYR H H 7.971 0.030 1 503 51 51 TYR HA H 4.316 0.030 1 504 51 51 TYR HB2 H 2.163 0.030 2 505 51 51 TYR HB3 H 2.359 0.030 2 506 51 51 TYR HD1 H 6.913 0.030 1 507 51 51 TYR HD2 H 6.913 0.030 1 508 51 51 TYR HE1 H 6.677 0.030 1 509 51 51 TYR HE2 H 6.677 0.030 1 510 51 51 TYR C C 175.471 0.300 1 511 51 51 TYR CA C 58.859 0.300 1 512 51 51 TYR CB C 37.124 0.300 1 513 51 51 TYR CD1 C 132.875 0.300 1 514 51 51 TYR CD2 C 132.875 0.300 1 515 51 51 TYR CE1 C 118.159 0.300 1 516 51 51 TYR CE2 C 118.159 0.300 1 517 51 51 TYR N N 127.207 0.300 1 518 52 52 VAL H H 8.034 0.030 1 519 52 52 VAL HA H 3.469 0.030 1 520 52 52 VAL HB H 1.910 0.030 1 521 52 52 VAL HG1 H 0.982 0.030 1 522 52 52 VAL HG2 H 0.991 0.030 1 523 52 52 VAL C C 178.234 0.300 1 524 52 52 VAL CA C 65.352 0.300 1 525 52 52 VAL CB C 31.507 0.300 1 526 52 52 VAL CG1 C 20.895 0.300 2 527 52 52 VAL CG2 C 21.393 0.300 2 528 52 52 VAL N N 124.292 0.300 1 529 53 53 GLY H H 9.063 0.030 1 530 53 53 GLY HA2 H 3.785 0.030 2 531 53 53 GLY HA3 H 4.228 0.030 2 532 53 53 GLY C C 174.288 0.300 1 533 53 53 GLY CA C 45.187 0.300 1 534 53 53 GLY N N 115.511 0.300 1 535 54 54 PHE H H 8.137 0.030 1 536 54 54 PHE HA H 4.841 0.030 1 537 54 54 PHE HB2 H 3.150 0.030 2 538 54 54 PHE HB3 H 3.102 0.030 2 539 54 54 PHE HD1 H 6.966 0.030 1 540 54 54 PHE HD2 H 6.966 0.030 1 541 54 54 PHE HE1 H 6.912 0.030 1 542 54 54 PHE HE2 H 6.912 0.030 1 543 54 54 PHE HZ H 6.696 0.030 1 544 54 54 PHE C C 175.942 0.300 1 545 54 54 PHE CA C 55.832 0.300 1 546 54 54 PHE CB C 40.537 0.300 1 547 54 54 PHE CD1 C 131.094 0.300 1 548 54 54 PHE CD2 C 131.094 0.300 1 549 54 54 PHE CE1 C 130.746 0.300 1 550 54 54 PHE CE2 C 130.746 0.300 1 551 54 54 PHE CZ C 129.092 0.300 1 552 54 54 PHE N N 119.829 0.300 1 553 55 55 ASN H H 8.729 0.030 1 554 55 55 ASN HA H 4.664 0.030 1 555 55 55 ASN HB2 H 3.003 0.030 2 556 55 55 ASN HB3 H 2.683 0.030 2 557 55 55 ASN C C 176.901 0.300 1 558 55 55 ASN CA C 54.372 0.300 1 559 55 55 ASN CB C 40.061 0.300 1 560 55 55 ASN N N 119.349 0.300 1 561 56 56 ARG H H 8.220 0.030 1 562 56 56 ARG HA H 4.556 0.030 1 563 56 56 ARG HB2 H 1.915 0.030 2 564 56 56 ARG HB3 H 1.872 0.030 2 565 56 56 ARG HG2 H 1.731 0.030 1 566 56 56 ARG HG3 H 1.731 0.030 1 567 56 56 ARG HD2 H 3.194 0.030 2 568 56 56 ARG HD3 H 3.139 0.030 2 569 56 56 ARG C C 177.880 0.300 1 570 56 56 ARG CA C 58.223 0.300 1 571 56 56 ARG CB C 29.579 0.300 1 572 56 56 ARG CG C 27.441 0.300 1 573 56 56 ARG CD C 43.233 0.300 1 574 57 57 ARG H H 9.116 0.030 1 575 57 57 ARG HA H 4.283 0.030 1 576 57 57 ARG HB2 H 1.863 0.030 2 577 57 57 ARG HB3 H 1.935 0.030 2 578 57 57 ARG HG2 H 1.693 0.030 1 579 57 57 ARG HG3 H 1.693 0.030 1 580 57 57 ARG HD2 H 3.233 0.030 1 581 57 57 ARG HD3 H 3.233 0.030 1 582 57 57 ARG C C 177.040 0.300 1 583 57 57 ARG CA C 58.296 0.300 1 584 57 57 ARG CB C 29.598 0.300 1 585 57 57 ARG CG C 27.615 0.300 1 586 57 57 ARG CD C 43.233 0.300 1 587 57 57 ARG N N 120.590 0.300 1 588 58 58 LEU H H 7.736 0.030 1 589 58 58 LEU HA H 4.423 0.030 1 590 58 58 LEU HB2 H 2.013 0.030 2 591 58 58 LEU HB3 H 1.713 0.030 2 592 58 58 LEU HG H 1.580 0.030 1 593 58 58 LEU HD1 H 0.818 0.030 1 594 58 58 LEU HD2 H 0.745 0.030 1 595 58 58 LEU C C 175.982 0.300 1 596 58 58 LEU CA C 54.813 0.300 1 597 58 58 LEU CB C 41.318 0.300 1 598 58 58 LEU CG C 28.112 0.300 1 599 58 58 LEU CD1 C 25.549 0.300 2 600 58 58 LEU CD2 C 23.081 0.300 2 601 58 58 LEU N N 118.672 0.300 1 602 59 59 ASP H H 7.593 0.030 1 603 59 59 ASP HA H 4.591 0.030 1 604 59 59 ASP HB2 H 2.715 0.030 2 605 59 59 ASP HB3 H 2.238 0.030 2 606 59 59 ASP C C 176.516 0.300 1 607 59 59 ASP CA C 55.692 0.300 1 608 59 59 ASP CB C 39.062 0.300 1 609 59 59 ASP N N 122.100 0.300 1 610 60 60 GLU H H 7.448 0.030 1 611 60 60 GLU HA H 4.766 0.030 1 612 60 60 GLU HB2 H 2.085 0.030 1 613 60 60 GLU HB3 H 2.085 0.030 1 614 60 60 GLU HG2 H 2.383 0.030 2 615 60 60 GLU HG3 H 2.063 0.030 2 616 60 60 GLU C C 173.873 0.300 1 617 60 60 GLU CA C 54.970 0.300 1 618 60 60 GLU CB C 33.298 0.300 1 619 60 60 GLU CG C 34.843 0.300 1 620 60 60 GLU N N 116.722 0.300 1 621 61 61 TRP H H 8.633 0.030 1 622 61 61 TRP HA H 5.242 0.030 1 623 61 61 TRP HB2 H 3.131 0.030 2 624 61 61 TRP HB3 H 2.902 0.030 2 625 61 61 TRP HD1 H 7.403 0.030 1 626 61 61 TRP HE1 H 9.965 0.030 1 627 61 61 TRP HE3 H 7.193 0.030 1 628 61 61 TRP HZ2 H 7.103 0.030 1 629 61 61 TRP HZ3 H 6.704 0.030 1 630 61 61 TRP HH2 H 6.743 0.030 1 631 61 61 TRP C C 177.257 0.300 1 632 61 61 TRP CA C 56.695 0.300 1 633 61 61 TRP CB C 30.103 0.300 1 634 61 61 TRP CD1 C 127.847 0.300 1 635 61 61 TRP CE3 C 120.640 0.300 1 636 61 61 TRP CZ2 C 114.812 0.300 1 637 61 61 TRP CZ3 C 121.821 0.300 1 638 61 61 TRP CH2 C 123.167 0.300 1 639 61 61 TRP N N 121.156 0.300 1 640 61 61 TRP NE1 N 130.714 0.300 1 641 62 62 VAL H H 10.008 0.030 1 642 62 62 VAL HA H 4.955 0.030 1 643 62 62 VAL HB H 2.079 0.030 1 644 62 62 VAL HG1 H 0.761 0.030 1 645 62 62 VAL HG2 H 0.984 0.030 1 646 62 62 VAL C C 174.526 0.300 1 647 62 62 VAL CA C 58.631 0.300 1 648 62 62 VAL CB C 35.866 0.300 1 649 62 62 VAL CG1 C 21.144 0.300 2 650 62 62 VAL CG2 C 18.407 0.300 2 651 62 62 VAL N N 117.672 0.300 1 652 63 63 ASP H H 7.967 0.030 1 653 63 63 ASP HA H 5.016 0.030 1 654 63 63 ASP HB2 H 2.963 0.030 2 655 63 63 ASP HB3 H 2.652 0.030 2 656 63 63 ASP C C 176.516 0.300 1 657 63 63 ASP CA C 53.528 0.300 1 658 63 63 ASP CB C 43.292 0.300 1 659 63 63 ASP N N 119.937 0.300 1 660 64 64 LYS H H 8.906 0.030 1 661 64 64 LYS HA H 3.910 0.030 1 662 64 64 LYS HB2 H 2.027 0.030 2 663 64 64 LYS HB3 H 2.073 0.030 2 664 64 64 LYS HG2 H 1.426 0.030 2 665 64 64 LYS HG3 H 1.600 0.030 2 666 64 64 LYS HD2 H 1.839 0.030 1 667 64 64 LYS HD3 H 1.839 0.030 1 668 64 64 LYS HE2 H 3.002 0.030 1 669 64 64 LYS HE3 H 3.002 0.030 1 670 64 64 LYS C C 177.573 0.300 1 671 64 64 LYS CA C 60.443 0.300 1 672 64 64 LYS CB C 33.608 0.300 1 673 64 64 LYS CG C 25.796 0.300 1 674 64 64 LYS CD C 29.908 0.300 1 675 64 64 LYS CE C 42.328 0.300 1 676 64 64 LYS N N 121.475 0.300 1 677 65 65 ASN H H 8.787 0.030 1 678 65 65 ASN HA H 4.713 0.030 1 679 65 65 ASN HB2 H 3.093 0.030 2 680 65 65 ASN HB3 H 2.925 0.030 2 681 65 65 ASN HD21 H 7.732 0.030 2 682 65 65 ASN HD22 H 6.941 0.030 2 683 65 65 ASN C C 176.961 0.300 1 684 65 65 ASN CA C 54.935 0.300 1 685 65 65 ASN CB C 37.781 0.300 1 686 65 65 ASN N N 114.555 0.300 1 687 65 65 ASN ND2 N 112.349 0.300 1 688 66 66 ARG H H 7.957 0.030 1 689 66 66 ARG HA H 4.133 0.030 1 690 66 66 ARG HB2 H 2.463 0.030 2 691 66 66 ARG HB3 H 1.807 0.030 2 692 66 66 ARG HG2 H 1.509 0.030 2 693 66 66 ARG HG3 H 2.023 0.030 2 694 66 66 ARG HD2 H 3.333 0.030 2 695 66 66 ARG HD3 H 3.194 0.030 2 696 66 66 ARG C C 173.442 0.300 1 697 66 66 ARG CA C 56.554 0.300 1 698 66 66 ARG CB C 30.850 0.300 1 699 66 66 ARG CG C 27.638 0.300 1 700 66 66 ARG CD C 44.393 0.300 1 701 66 66 ARG N N 118.438 0.300 1 702 67 67 LEU H H 7.561 0.030 1 703 67 67 LEU HA H 5.341 0.030 1 704 67 67 LEU HB2 H 0.813 0.030 2 705 67 67 LEU HB3 H 1.719 0.030 2 706 67 67 LEU HG H 1.504 0.030 1 707 67 67 LEU HD1 H 0.223 0.030 1 708 67 67 LEU HD2 H 0.600 0.030 1 709 67 67 LEU C C 176.788 0.300 1 710 67 67 LEU CA C 53.422 0.300 1 711 67 67 LEU CB C 44.038 0.300 1 712 67 67 LEU CG C 26.700 0.300 1 713 67 67 LEU CD1 C 26.700 0.300 2 714 67 67 LEU CD2 C 23.328 0.300 2 715 67 67 LEU N N 116.965 0.300 1 716 68 68 ALA H H 8.963 0.030 1 717 68 68 ALA HA H 4.655 0.030 1 718 68 68 ALA HB H 1.222 0.030 1 719 68 68 ALA C C 176.223 0.300 1 720 68 68 ALA CA C 50.885 0.300 1 721 68 68 ALA CB C 19.651 0.300 1 722 68 68 ALA N N 124.509 0.300 1 723 69 69 LEU H H 8.338 0.030 1 724 69 69 LEU HA H 4.528 0.030 1 725 69 69 LEU HB2 H 1.693 0.030 2 726 69 69 LEU HB3 H 1.564 0.030 2 727 69 69 LEU HG H 1.545 0.030 1 728 69 69 LEU HD1 H 0.763 0.030 1 729 69 69 LEU HD2 H 0.486 0.030 1 730 69 69 LEU C C 177.330 0.300 1 731 69 69 LEU CA C 55.217 0.300 1 732 69 69 LEU CB C 42.469 0.300 1 733 69 69 LEU CG C 26.619 0.300 1 734 69 69 LEU CD1 C 25.624 0.300 2 735 69 69 LEU CD2 C 23.328 0.300 2 736 69 69 LEU N N 122.821 0.300 1 737 70 70 THR H H 7.833 0.030 1 738 70 70 THR HA H 4.449 0.030 1 739 70 70 THR HB H 4.330 0.030 1 740 70 70 THR HG2 H 1.195 0.030 1 741 70 70 THR C C 174.483 0.300 1 742 70 70 THR CA C 60.725 0.300 1 743 70 70 THR CB C 70.370 0.300 1 744 70 70 THR CG2 C 21.930 0.300 1 745 70 70 THR N N 110.761 0.300 1 746 71 71 LYS H H 8.548 0.030 1 747 71 71 LYS HA H 4.205 0.030 1 748 71 71 LYS HB2 H 1.802 0.030 2 749 71 71 LYS HG2 H 1.351 0.030 2 750 71 71 LYS HD2 H 1.655 0.030 2 751 71 71 LYS HE2 H 2.964 0.030 2 752 71 71 LYS C C 176.903 0.300 1 753 71 71 LYS CA C 57.257 0.300 1 754 71 71 LYS CB C 32.905 0.300 1 755 71 71 LYS CG C 24.809 0.300 1 756 71 71 LYS CE C 42.163 0.300 1 757 71 71 LYS N N 123.290 0.300 1 758 72 72 THR H H 8.154 0.030 1 759 72 72 THR HA H 4.191 0.030 1 760 72 72 THR HB H 4.114 0.030 1 761 72 72 THR HG2 H 1.189 0.030 1 762 72 72 THR C C 175.458 0.300 1 763 72 72 THR CA C 63.346 0.300 1 764 72 72 THR CB C 69.571 0.300 1 765 72 72 THR CG2 C 21.891 0.300 1 766 72 72 THR N N 114.292 0.300 1 767 73 73 VAL H H 7.776 0.030 1 768 73 73 VAL HA H 3.942 0.030 1 769 73 73 VAL HB H 1.970 0.030 1 770 73 73 VAL HG1 H 0.851 0.030 1 771 73 73 VAL HG2 H 0.912 0.030 1 772 73 73 VAL C C 176.514 0.300 1 773 73 73 VAL CA C 63.698 0.300 1 774 73 73 VAL CB C 32.494 0.300 1 775 73 73 VAL CG1 C 21.144 0.300 2 776 73 73 VAL CG2 C 21.393 0.300 2 777 73 73 VAL N N 122.364 0.300 1 778 74 74 LYS H H 8.323 0.030 1 779 74 74 LYS HA H 3.983 0.030 1 780 74 74 LYS HB2 H 1.723 0.030 2 781 74 74 LYS HB3 H 1.793 0.030 2 782 74 74 LYS HG2 H 1.336 0.030 2 783 74 74 LYS HG3 H 1.392 0.030 2 784 74 74 LYS HE2 H 2.962 0.030 1 785 74 74 LYS HE3 H 2.962 0.030 1 786 74 74 LYS C C 177.168 0.300 1 787 74 74 LYS CA C 58.030 0.300 1 788 74 74 LYS CB C 32.838 0.300 1 789 74 74 LYS CG C 25.302 0.300 1 790 74 74 LYS CD C 29.497 0.300 1 791 74 74 LYS CE C 42.081 0.300 1 792 74 74 LYS N N 123.052 0.300 1 793 75 75 ASP H H 8.389 0.030 1 794 75 75 ASP HA H 4.428 0.030 1 795 75 75 ASP HB2 H 2.643 0.030 1 796 75 75 ASP HB3 H 2.643 0.030 1 797 75 75 ASP C C 176.713 0.300 1 798 75 75 ASP CA C 55.393 0.300 1 799 75 75 ASP CB C 40.765 0.300 1 800 75 75 ASP N N 119.765 0.300 1 801 76 76 ALA H H 7.863 0.030 1 802 76 76 ALA HA H 4.223 0.030 1 803 76 76 ALA HB H 1.406 0.030 1 804 76 76 ALA C C 178.705 0.300 1 805 76 76 ALA CA C 53.475 0.300 1 806 76 76 ALA CB C 19.154 0.300 1 807 76 76 ALA N N 123.111 0.300 1 808 77 77 VAL H H 7.984 0.030 1 809 77 77 VAL HA H 3.852 0.030 1 810 77 77 VAL HB H 1.873 0.030 1 811 77 77 VAL HG1 H 0.692 0.030 1 812 77 77 VAL HG2 H 0.573 0.030 1 813 77 77 VAL C C 177.144 0.300 1 814 77 77 VAL CA C 63.452 0.300 1 815 77 77 VAL CB C 32.001 0.300 1 816 77 77 VAL CG1 C 21.144 0.300 2 817 77 77 VAL CG2 C 20.647 0.300 2 818 77 77 VAL N N 118.184 0.300 1 819 78 78 GLN H H 8.194 0.030 1 820 78 78 GLN HB2 H 2.032 0.030 1 821 78 78 GLN HB3 H 2.032 0.030 1 822 78 78 GLN HG2 H 2.352 0.030 1 823 78 78 GLN HG3 H 2.352 0.030 1 824 78 78 GLN N N 122.398 0.300 1 825 81 81 SER HA H 4.423 0.030 1 826 81 81 SER HB2 H 3.953 0.030 1 827 81 81 SER HB3 H 3.953 0.030 1 828 81 81 SER C C 174.963 0.300 1 829 81 81 SER CA C 59.194 0.300 1 830 81 81 SER CB C 63.713 0.300 1 831 82 82 GLU H H 8.426 0.030 1 832 82 82 GLU HA H 4.228 0.030 1 833 82 82 GLU HB2 H 2.002 0.030 1 834 82 82 GLU HB3 H 2.002 0.030 1 835 82 82 GLU HG2 H 2.300 0.030 1 836 82 82 GLU HG3 H 2.300 0.030 1 837 82 82 GLU C C 177.152 0.300 1 838 82 82 GLU CA C 57.510 0.300 1 839 82 82 GLU CB C 30.008 0.300 1 840 82 82 GLU CG C 36.406 0.300 1 841 82 82 GLU N N 122.419 0.300 1 842 83 83 LYS H H 8.103 0.030 1 843 83 83 LYS HA H 4.204 0.030 1 844 83 83 LYS HB2 H 1.727 0.030 1 845 83 83 LYS HB3 H 1.727 0.030 1 846 83 83 LYS HG2 H 1.326 0.030 2 847 83 83 LYS HG3 H 1.384 0.030 2 848 83 83 LYS HE2 H 2.978 0.030 1 849 83 83 LYS HE3 H 2.978 0.030 1 850 83 83 LYS C C 176.790 0.300 1 851 83 83 LYS CA C 57.153 0.300 1 852 83 83 LYS CB C 32.841 0.300 1 853 83 83 LYS CG C 24.644 0.300 1 854 83 83 LYS CD C 29.003 0.300 1 855 83 83 LYS CE C 42.163 0.300 1 856 83 83 LYS N N 120.993 0.300 1 857 84 84 TYR H H 8.012 0.030 1 858 84 84 TYR HA H 4.528 0.030 1 859 84 84 TYR HB2 H 3.003 0.030 2 860 84 84 TYR HB3 H 3.092 0.030 2 861 84 84 TYR HD1 H 7.123 0.030 1 862 84 84 TYR HD2 H 7.123 0.030 1 863 84 84 TYR HE1 H 6.823 0.030 1 864 84 84 TYR HE2 H 6.823 0.030 1 865 84 84 TYR C C 176.179 0.300 1 866 84 84 TYR CA C 58.508 0.300 1 867 84 84 TYR CB C 38.564 0.300 1 868 84 84 TYR CD1 C 133.299 0.300 1 869 84 84 TYR CD2 C 133.299 0.300 1 870 84 84 TYR CE1 C 118.229 0.300 1 871 84 84 TYR CE2 C 118.229 0.300 1 872 84 84 TYR N N 120.204 0.300 1 873 85 85 LEU H H 8.040 0.030 1 874 85 85 LEU HA H 4.228 0.030 1 875 85 85 LEU HB2 H 1.693 0.030 2 876 85 85 LEU HB3 H 1.561 0.030 2 877 85 85 LEU HG H 1.603 0.030 1 878 85 85 LEU HD1 H 0.903 0.030 1 879 85 85 LEU HD2 H 0.863 0.030 1 880 85 85 LEU C C 177.867 0.300 1 881 85 85 LEU CA C 55.745 0.300 1 882 85 85 LEU CB C 42.296 0.300 1 883 85 85 LEU CG C 26.947 0.300 1 884 85 85 LEU CD1 C 25.220 0.300 2 885 85 85 LEU CD2 C 23.328 0.300 2 886 85 85 LEU N N 122.393 0.300 1 887 86 86 SER H H 8.153 0.030 1 888 86 86 SER HA H 4.353 0.030 1 889 86 86 SER HB2 H 3.889 0.030 1 890 86 86 SER HB3 H 3.889 0.030 1 891 86 86 SER C C 175.123 0.300 1 892 86 86 SER CA C 59.281 0.300 1 893 86 86 SER CB C 63.667 0.300 1 894 86 86 SER N N 116.048 0.300 1 895 87 87 GLU H H 8.320 0.030 1 896 87 87 GLU HA H 4.268 0.030 1 897 87 87 GLU HB2 H 2.079 0.030 2 898 87 87 GLU HB3 H 1.993 0.030 2 899 87 87 GLU HG2 H 2.276 0.030 1 900 87 87 GLU HG3 H 2.276 0.030 1 901 87 87 GLU C C 176.935 0.300 1 902 87 87 GLU CA C 57.170 0.300 1 903 87 87 GLU CB C 29.826 0.300 1 904 87 87 GLU CG C 36.324 0.300 1 905 87 87 GLU N N 122.274 0.300 1 906 88 88 LEU H H 7.984 0.030 1 907 88 88 LEU HA H 4.266 0.030 1 908 88 88 LEU HB2 H 1.589 0.030 1 909 88 88 LEU HB3 H 1.589 0.030 1 910 88 88 LEU HG H 1.603 0.030 1 911 88 88 LEU HD1 H 0.903 0.030 1 912 88 88 LEU HD2 H 0.863 0.030 1 913 88 88 LEU C C 177.367 0.300 1 914 88 88 LEU CA C 55.463 0.300 1 915 88 88 LEU CB C 42.305 0.300 1 916 88 88 LEU CG C 26.947 0.300 1 917 88 88 LEU CD1 C 25.055 0.300 2 918 88 88 LEU CD2 C 23.493 0.300 2 919 88 88 LEU N N 121.649 0.300 1 920 89 89 ALA H H 8.013 0.030 1 921 89 89 ALA HA H 4.283 0.030 1 922 89 89 ALA HB H 1.414 0.030 1 923 89 89 ALA C C 177.693 0.300 1 924 89 89 ALA CA C 52.665 0.300 1 925 89 89 ALA CB C 19.275 0.300 1 926 89 89 ALA N N 123.513 0.300 1 927 90 90 GLU H H 8.134 0.030 1 928 90 90 GLU HA H 4.253 0.030 1 929 90 90 GLU HB2 H 2.052 0.030 2 930 90 90 GLU HB3 H 1.953 0.030 2 931 90 90 GLU HG2 H 2.264 0.030 1 932 90 90 GLU HG3 H 2.264 0.030 1 933 90 90 GLU C C 176.273 0.300 1 934 90 90 GLU CA C 56.378 0.300 1 935 90 90 GLU CB C 30.255 0.300 1 936 90 90 GLU CG C 36.324 0.300 1 937 90 90 GLU N N 119.152 0.300 1 938 91 91 GLN H H 8.317 0.030 1 939 91 91 GLN HA H 4.612 0.030 1 940 91 91 GLN HB2 H 1.956 0.030 2 941 91 91 GLN HB3 H 2.142 0.030 2 942 91 91 GLN HG2 H 2.413 0.030 1 943 91 91 GLN HG3 H 2.413 0.030 1 944 91 91 GLN HE21 H 7.583 0.030 2 945 91 91 GLN HE22 H 6.883 0.030 2 946 91 91 GLN C C 174.211 0.300 1 947 91 91 GLN CA C 53.774 0.300 1 948 91 91 GLN CB C 28.924 0.300 1 949 91 91 GLN CG C 33.588 0.300 1 950 91 91 GLN N N 121.914 0.300 1 951 91 91 GLN NE2 N 112.669 0.300 1 952 92 92 PRO HA H 4.391 0.030 1 953 92 92 PRO HB2 H 2.315 0.030 2 954 92 92 PRO HB3 H 1.915 0.030 2 955 92 92 PRO HG2 H 2.001 0.030 1 956 92 92 PRO HG3 H 2.001 0.030 1 957 92 92 PRO HD2 H 3.782 0.030 2 958 92 92 PRO HD3 H 3.731 0.030 2 959 92 92 PRO C C 177.220 0.300 1 960 92 92 PRO CA C 63.734 0.300 1 961 92 92 PRO CB C 31.882 0.300 1 962 92 92 PRO CG C 27.358 0.300 1 963 92 92 PRO CD C 50.717 0.300 1 964 93 93 GLU H H 8.655 0.030 1 965 93 93 GLU HA H 4.203 0.030 1 966 93 93 GLU HB2 H 2.043 0.030 2 967 93 93 GLU HB3 H 1.992 0.030 2 968 93 93 GLU HG2 H 2.252 0.030 2 969 93 93 GLU HG3 H 2.308 0.030 2 970 93 93 GLU C C 176.651 0.300 1 971 93 93 GLU CA C 57.135 0.300 1 972 93 93 GLU CB C 29.854 0.300 1 973 93 93 GLU CG C 36.324 0.300 1 974 93 93 GLU N N 120.193 0.300 1 975 94 94 ARG H H 8.558 0.030 1 976 94 94 ARG C C 176.077 0.300 1 977 94 94 ARG CA C 56.026 0.300 1 978 94 94 ARG CB C 30.685 0.300 1 979 94 94 ARG N N 123.611 0.300 1 980 95 95 LYS HA H 4.316 0.030 1 981 95 95 LYS HB2 H 1.777 0.030 1 982 95 95 LYS HB3 H 1.777 0.030 1 983 95 95 LYS HG2 H 1.401 0.030 2 984 95 95 LYS HE2 H 2.964 0.030 1 985 95 95 LYS HE3 H 2.964 0.030 1 986 95 95 LYS C C 176.496 0.300 1 987 95 95 LYS CA C 56.519 0.300 1 988 95 95 LYS CB C 32.869 0.300 1 989 95 95 LYS CG C 24.891 0.300 1 990 95 95 LYS CD C 29.168 0.300 1 991 95 95 LYS CE C 42.163 0.300 1 992 96 96 ILE H H 8.187 0.030 1 993 96 96 ILE HA H 4.244 0.030 1 994 96 96 ILE HB H 1.884 0.030 1 995 96 96 ILE HG12 H 1.483 0.030 2 996 96 96 ILE HG13 H 1.183 0.030 2 997 96 96 ILE HG2 H 0.902 0.030 1 998 96 96 ILE HD1 H 0.849 0.030 1 999 96 96 ILE C C 176.513 0.300 1 1000 96 96 ILE CA C 61.112 0.300 1 1001 96 96 ILE CB C 38.813 0.300 1 1002 96 96 ILE CG1 C 27.348 0.300 1 1003 96 96 ILE CG2 C 17.661 0.300 1 1004 96 96 ILE CD1 C 12.861 0.300 1 1005 96 96 ILE N N 122.225 0.300 1 1006 97 97 THR H H 8.261 0.030 1 1007 97 97 THR C C 174.599 0.300 1 1008 97 97 THR CA C 61.974 0.300 1 1009 97 97 THR CB C 69.836 0.300 1 1010 97 97 THR N N 118.892 0.300 1 1011 105 105 ASP HA H 4.578 0.030 1 1012 105 105 ASP HB2 H 2.627 0.030 1 1013 105 105 ASP HB3 H 2.627 0.030 1 1014 105 105 ASP C C 176.210 0.300 1 1015 105 105 ASP CA C 54.443 0.300 1 1016 105 105 ASP CB C 41.012 0.300 1 1017 106 106 GLU H H 8.268 0.030 1 1018 106 106 GLU HA H 4.241 0.030 1 1019 106 106 GLU HB2 H 2.060 0.030 2 1020 106 106 GLU HB3 H 1.962 0.030 2 1021 106 106 GLU HG2 H 2.298 0.030 2 1022 106 106 GLU HG3 H 2.252 0.030 2 1023 106 106 GLU C C 176.634 0.300 1 1024 106 106 GLU CA C 56.801 0.300 1 1025 106 106 GLU CB C 30.273 0.300 1 1026 106 106 GLU CG C 36.406 0.300 1 1027 106 106 GLU N N 120.893 0.300 1 1028 107 107 ILE H H 8.094 0.030 1 1029 107 107 ILE HA H 4.103 0.030 1 1030 107 107 ILE HB H 1.833 0.030 1 1031 107 107 ILE HG12 H 1.161 0.030 2 1032 107 107 ILE HG13 H 1.432 0.030 2 1033 107 107 ILE HG2 H 0.813 0.030 1 1034 107 107 ILE HD1 H 0.843 0.030 1 1035 107 107 ILE C C 175.912 0.300 1 1036 107 107 ILE CA C 61.481 0.300 1 1037 107 107 ILE CB C 38.808 0.300 1 1038 107 107 ILE CG1 C 27.366 0.300 1 1039 107 107 ILE CG2 C 17.399 0.300 1 1040 107 107 ILE CD1 C 12.932 0.300 1 1041 107 107 ILE N N 121.041 0.300 1 1042 108 108 ASN H H 8.373 0.030 1 1043 108 108 ASN HA H 4.703 0.030 1 1044 108 108 ASN HB2 H 2.784 0.030 2 1045 108 108 ASN HB3 H 2.703 0.030 2 1046 108 108 ASN HD21 H 6.913 0.030 2 1047 108 108 ASN HD22 H 7.622 0.030 2 1048 108 108 ASN C C 175.932 0.300 1 1049 108 108 ASN CA C 53.211 0.300 1 1050 108 108 ASN CB C 38.910 0.300 1 1051 108 108 ASN N N 121.693 0.300 1 1052 108 108 ASN ND2 N 113.042 0.300 1 1053 109 109 HIS HA H 4.582 0.030 1 1054 109 109 HIS HB2 H 3.143 0.030 2 1055 109 109 HIS HB3 H 3.091 0.030 2 1056 109 109 HIS HD2 H 7.021 0.030 1 1057 109 109 HIS C C 175.348 0.300 1 1058 109 109 HIS CA C 56.554 0.300 1 1059 109 109 HIS CB C 30.849 0.300 1 1060 109 109 HIS CD2 C 120.087 0.300 1 1061 110 110 VAL H H 8.031 0.030 1 1062 110 110 VAL HA H 4.042 0.030 1 1063 110 110 VAL HB H 2.043 0.030 1 1064 110 110 VAL HG1 H 0.899 0.030 1 1065 110 110 VAL C C 176.004 0.300 1 1066 110 110 VAL CA C 62.625 0.300 1 1067 110 110 VAL CB C 32.840 0.300 1 1068 110 110 VAL CG1 C 21.107 0.300 2 1069 110 110 VAL N N 121.588 0.300 1 1070 111 111 GLN H H 8.423 0.030 1 1071 111 111 GLN HA H 4.313 0.030 1 1072 111 111 GLN HB2 H 1.986 0.030 2 1073 111 111 GLN HB3 H 2.086 0.030 2 1074 111 111 GLN HG2 H 2.363 0.030 1 1075 111 111 GLN HG3 H 2.363 0.030 1 1076 111 111 GLN HE21 H 6.879 0.030 2 1077 111 111 GLN HE22 H 7.543 0.030 2 1078 111 111 GLN C C 175.886 0.300 1 1079 111 111 GLN CA C 55.868 0.300 1 1080 111 111 GLN CB C 29.108 0.300 1 1081 111 111 GLN CG C 33.774 0.300 1 1082 111 111 GLN N N 124.184 0.300 1 1083 111 111 GLN NE2 N 112.390 0.300 1 1084 112 112 LYS H H 8.373 0.030 1 1085 112 112 LYS HA H 4.316 0.030 1 1086 112 112 LYS HB2 H 1.733 0.030 1 1087 112 112 LYS HB3 H 1.733 0.030 1 1088 112 112 LYS HG2 H 1.403 0.030 2 1089 112 112 LYS HE2 H 2.983 0.030 1 1090 112 112 LYS HE3 H 2.983 0.030 1 1091 112 112 LYS C C 176.497 0.300 1 1092 112 112 LYS CA C 56.466 0.300 1 1093 112 112 LYS CB C 33.175 0.300 1 1094 112 112 LYS CG C 24.891 0.300 1 1095 112 112 LYS CD C 29.003 0.300 1 1096 112 112 LYS CE C 42.163 0.300 1 1097 112 112 LYS N N 123.454 0.300 1 1098 113 113 THR H H 8.132 0.030 1 1099 113 113 THR HA H 4.300 0.030 1 1100 113 113 THR HB H 4.163 0.030 1 1101 113 113 THR HG2 H 1.143 0.030 1 1102 113 113 THR C C 174.201 0.300 1 1103 113 113 THR CA C 61.798 0.300 1 1104 113 113 THR CB C 69.965 0.300 1 1105 113 113 THR CG2 C 21.601 0.300 1 1106 113 113 THR N N 115.130 0.300 1 1107 114 114 TYR H H 8.218 0.030 1 1108 114 114 TYR HA H 4.553 0.030 1 1109 114 114 TYR HB2 H 3.081 0.030 2 1110 114 114 TYR HB3 H 2.947 0.030 2 1111 114 114 TYR HD1 H 7.123 0.030 1 1112 114 114 TYR HD2 H 7.123 0.030 1 1113 114 114 TYR HE1 H 6.823 0.030 1 1114 114 114 TYR HE2 H 6.823 0.030 1 1115 114 114 TYR C C 175.574 0.300 1 1116 114 114 TYR CA C 58.138 0.300 1 1117 114 114 TYR CB C 38.727 0.300 1 1118 114 114 TYR CD1 C 133.298 0.300 1 1119 114 114 TYR CD2 C 133.298 0.300 1 1120 114 114 TYR CE1 C 118.229 0.300 1 1121 114 114 TYR CE2 C 118.229 0.300 1 1122 114 114 TYR N N 122.095 0.300 1 1123 115 115 ALA H H 8.178 0.030 1 1124 115 115 ALA HA H 4.283 0.030 1 1125 115 115 ALA HB H 1.363 0.030 1 1126 115 115 ALA C C 177.427 0.300 1 1127 115 115 ALA CA C 52.777 0.300 1 1128 115 115 ALA CB C 19.357 0.300 1 1129 115 115 ALA N N 124.978 0.300 1 1130 116 116 GLU H H 8.233 0.030 1 1131 116 116 GLU HA H 4.244 0.030 1 1132 116 116 GLU HB2 H 2.063 0.030 2 1133 116 116 GLU HB3 H 1.962 0.030 2 1134 116 116 GLU HG2 H 2.295 0.030 2 1135 116 116 GLU HG3 H 2.253 0.030 2 1136 116 116 GLU C C 176.346 0.300 1 1137 116 116 GLU CA C 56.572 0.300 1 1138 116 116 GLU CB C 30.255 0.300 1 1139 116 116 GLU CG C 36.488 0.300 1 1140 116 116 GLU N N 119.468 0.300 1 1141 117 117 MET H H 8.205 0.030 1 1142 117 117 MET HA H 4.433 0.030 1 1143 117 117 MET HB2 H 2.052 0.030 2 1144 117 117 MET HB3 H 1.994 0.030 2 1145 117 117 MET HG2 H 2.513 0.030 2 1146 117 117 MET HG3 H 2.583 0.030 2 1147 117 117 MET HE H 2.083 0.030 1 1148 117 117 MET C C 175.526 0.300 1 1149 117 117 MET CA C 55.376 0.300 1 1150 117 117 MET CB C 33.317 0.300 1 1151 117 117 MET CG C 32.094 0.300 1 1152 117 117 MET CE C 17.078 0.300 1 1153 117 117 MET N N 120.794 0.300 1 1154 118 118 ASP H H 8.357 0.030 1 1155 118 118 ASP HA H 4.893 0.030 1 1156 118 118 ASP HB2 H 2.833 0.030 2 1157 118 118 ASP HB3 H 2.615 0.030 2 1158 118 118 ASP CA C 52.103 0.300 1 1159 118 118 ASP CB C 41.295 0.300 1 1160 118 118 ASP N N 123.257 0.300 1 1161 119 119 PRO HA H 4.474 0.030 1 1162 119 119 PRO HB2 H 2.335 0.030 2 1163 119 119 PRO HB3 H 2.040 0.030 2 1164 119 119 PRO HG2 H 2.051 0.030 1 1165 119 119 PRO HG3 H 2.051 0.030 1 1166 119 119 PRO HD2 H 3.909 0.030 2 1167 119 119 PRO HD3 H 3.864 0.030 2 1168 119 119 PRO C C 177.993 0.300 1 1169 119 119 PRO CA C 64.015 0.300 1 1170 119 119 PRO CB C 31.964 0.300 1 1171 119 119 PRO CG C 27.365 0.300 1 1172 119 119 PRO CD C 50.964 0.300 1 1173 120 120 THR H H 8.392 0.030 1 1174 120 120 THR HA H 4.283 0.030 1 1175 120 120 THR HB H 4.293 0.030 1 1176 120 120 THR HG2 H 1.263 0.030 1 1177 120 120 THR C C 175.553 0.300 1 1178 120 120 THR CA C 63.523 0.300 1 1179 120 120 THR CB C 69.383 0.300 1 1180 120 120 THR CG2 C 21.765 0.300 1 1181 120 120 THR N N 113.451 0.300 1 1182 121 121 THR H H 7.897 0.030 1 1183 121 121 THR HA H 4.253 0.030 1 1184 121 121 THR HB H 4.253 0.030 1 1185 121 121 THR HG2 H 1.213 0.030 1 1186 121 121 THR C C 174.881 0.300 1 1187 121 121 THR CA C 62.871 0.300 1 1188 121 121 THR CB C 69.388 0.300 1 1189 121 121 THR CG2 C 21.765 0.300 1 1190 121 121 THR N N 116.091 0.300 1 1191 122 122 ALA H H 8.116 0.030 1 1192 122 122 ALA HA H 4.253 0.030 1 1193 122 122 ALA HB H 1.399 0.030 1 1194 122 122 ALA C C 177.823 0.300 1 1195 122 122 ALA CA C 53.140 0.300 1 1196 122 122 ALA CB C 19.028 0.300 1 1197 122 122 ALA N N 125.806 0.300 1 1198 123 123 ALA H H 8.071 0.030 1 1199 123 123 ALA HA H 4.278 0.030 1 1200 123 123 ALA HB H 1.389 0.030 1 1201 123 123 ALA C C 177.999 0.300 1 1202 123 123 ALA CA C 52.806 0.300 1 1203 123 123 ALA CB C 18.946 0.300 1 1204 123 123 ALA N N 122.246 0.300 1 1205 124 124 LEU H H 8.014 0.030 1 1206 124 124 LEU HA H 4.305 0.030 1 1207 124 124 LEU HB2 H 1.639 0.030 1 1208 124 124 LEU HB3 H 1.639 0.030 1 1209 124 124 LEU HG H 1.683 0.030 1 1210 124 124 LEU HD1 H 0.901 0.030 1 1211 124 124 LEU HD2 H 0.863 0.030 1 1212 124 124 LEU C C 177.890 0.300 1 1213 124 124 LEU CA C 55.516 0.300 1 1214 124 124 LEU CB C 42.346 0.300 1 1215 124 124 LEU CG C 27.029 0.300 1 1216 124 124 LEU CD1 C 25.055 0.300 2 1217 124 124 LEU CD2 C 23.410 0.300 2 1218 124 124 LEU N N 120.717 0.300 1 1219 125 125 GLU H H 8.259 0.030 1 1220 125 125 GLU HA H 4.241 0.030 1 1221 125 125 GLU HB2 H 2.002 0.030 1 1222 125 125 GLU HB3 H 2.002 0.030 1 1223 125 125 GLU HG2 H 2.276 0.030 1 1224 125 125 GLU HG3 H 2.276 0.030 1 1225 125 125 GLU C C 176.633 0.300 1 1226 125 125 GLU CA C 56.819 0.300 1 1227 125 125 GLU CB C 30.090 0.300 1 1228 125 125 GLU CG C 36.406 0.300 1 1229 125 125 GLU N N 121.227 0.300 1 1230 126 126 LYS H H 8.199 0.030 1 1231 126 126 LYS HA H 4.303 0.030 1 1232 126 126 LYS HB2 H 1.827 0.030 1 1233 126 126 LYS HB3 H 1.827 0.030 1 1234 126 126 LYS HG2 H 1.451 0.030 1 1235 126 126 LYS HG3 H 1.451 0.030 1 1236 126 126 LYS HD2 H 1.738 0.030 1 1237 126 126 LYS HD3 H 1.738 0.030 1 1238 126 126 LYS HE2 H 2.989 0.030 1 1239 126 126 LYS HE3 H 2.989 0.030 1 1240 126 126 LYS C C 176.707 0.300 1 1241 126 126 LYS CA C 56.554 0.300 1 1242 126 126 LYS CB C 33.093 0.300 1 1243 126 126 LYS CG C 24.726 0.300 1 1244 126 126 LYS CD C 29.003 0.300 1 1245 126 126 LYS CE C 42.163 0.300 1 1246 126 126 LYS N N 121.801 0.300 1 1247 127 127 GLU H H 8.421 0.030 1 1248 127 127 GLU HA H 4.303 0.030 1 1249 127 127 GLU HB2 H 1.980 0.030 2 1250 127 127 GLU HB3 H 2.096 0.030 2 1251 127 127 GLU HG2 H 2.285 0.030 1 1252 127 127 GLU HG3 H 2.285 0.030 1 1253 127 127 GLU C C 176.615 0.300 1 1254 127 127 GLU CA C 56.765 0.300 1 1255 127 127 GLU CB C 30.173 0.300 1 1256 127 127 GLU CG C 36.324 0.300 1 1257 127 127 GLU N N 121.811 0.300 1 1258 128 128 SER H H 8.354 0.030 1 1259 128 128 SER HA H 4.491 0.030 1 1260 128 128 SER HB2 H 3.891 0.030 1 1261 128 128 SER HB3 H 3.891 0.030 1 1262 128 128 SER C C 174.658 0.300 1 1263 128 128 SER CA C 58.472 0.300 1 1264 128 128 SER CB C 64.060 0.300 1 1265 128 128 SER N N 116.830 0.300 1 1266 129 129 GLY H H 8.242 0.030 1 1267 129 129 GLY HA2 H 4.202 0.030 2 1268 129 129 GLY HA3 H 4.105 0.030 2 1269 129 129 GLY C C 171.836 0.300 1 1270 129 129 GLY CA C 44.659 0.300 1 1271 129 129 GLY N N 110.673 0.300 1 1272 130 130 PRO HA H 4.478 0.030 1 1273 130 130 PRO HB2 H 2.290 0.030 2 1274 130 130 PRO HB3 H 1.977 0.030 2 1275 130 130 PRO HG2 H 2.026 0.030 1 1276 130 130 PRO HG3 H 2.026 0.030 1 1277 130 130 PRO HD2 H 3.627 0.030 1 1278 130 130 PRO HD3 H 3.627 0.030 1 1279 130 130 PRO C C 177.444 0.300 1 1280 130 130 PRO CA C 63.302 0.300 1 1281 130 130 PRO CB C 32.211 0.300 1 1282 130 130 PRO CG C 27.112 0.300 1 1283 130 130 PRO CD C 49.813 0.300 1 1284 131 131 SER H H 8.533 0.030 1 1285 131 131 SER N N 116.457 0.300 1 stop_ save_